Information card for entry 4066633

Structure parameters

• Formula: C30 H20 N2 O2 Ru
• Calculated formula: C30 H20 N2 O2 Ru
• SMILES: [Ru]12([n]3ccccc3C3=C1c1c(C3)cccc1)([n]1ccccc1C1=C2c2c(C1)cccc2)(C#[O])C#[O]
• Title of publication: Pyridyl-Substituted Indenyl Ruthenium Complexes: Synthesis, Structures, and Reactivities
• Authors of publication: Chen, Dafa; Zhang, Xi; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3418
• a: 14.857 ± 0.003 Å
• b: 8.9139 ± 0.0018 Å
• c: 18.954 ± 0.004 Å
• α: 90°
• β: 112.26 ± 0.03°
• γ: 90°
• Cell volume: 2323.1 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No